5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine

C9H11ClN2 — CID 170226146

IUPAC5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine
SMILESC/C=C(/Cl)c1c(C)ncnc1C
InChIInChI=1S/C9H11ClN2/c1-4-8(10)9-6(2)11-5-12-7(9)3/h4-5H,1-3H3/b8-4+
InChIKeyDXOWHCBLZMSODQ-XBXARRHUSA-N
MW182.65 g/mol
LogP2.69
Rot. Bonds1

About 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine

5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine (PubChem CID 170226146) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine
PubChem CID170226146
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine
SMILESC/C=C(/Cl)c1c(C)ncnc1C
InChIInChI=1S/C9H11ClN2/c1-4-8(10)9-6(2)11-5-12-7(9)3/h4-5H,1-3H3/b8-4+
InChIKeyDXOWHCBLZMSODQ-XBXARRHUSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 18736669
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CID 61252025
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CID 62915901
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CID 130705493
CID 130705493
CID 88890007
CID 88890007
CID 126592756
CID 126592756
CID 130243060
CID 130243060
CID 134313088
CID 134313088
CID 144030431
CID 144030431
CID 145143512
CID 145143512
CID 145143633
CID 145143633

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine?
The IUPAC name of 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine (CID 170226146) is 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine is C/C=C(/Cl)c1c(C)ncnc1C.
What is the InChIKey of 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine?
The InChIKey is DXOWHCBLZMSODQ-XBXARRHUSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-4-8(10)9-6(2)11-5-12-7(9)3/h4-5H,1-3H3/b8-4+.
What are the key properties of 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine?
5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine has a molecular weight of 182.65 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-chloroprop-1-enyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 170226146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).